tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

C19H25N3O5 — CID 75614054

IUPACtert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)22-10-4-5-15(22)16(23)20-13-6-8-14(9-7-13)21-11-12-26-17(21)24/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyJPRQWEZCZZIUDG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 75614054) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID75614054
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nametert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)22-10-4-5-15(22)16(23)20-13-6-8-14(9-7-13)21-11-12-26-17(21)24/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyJPRQWEZCZZIUDG-UHFFFAOYSA-N
XLogP2.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51126858
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
tert-butyl (2S)-2-[[4-(hydroxymethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 172641100
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl 2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 68805308
tert-butyl (2S)-2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11922845
tert-butyl 2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 155819065
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl 2-[(3-acetamidophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 51149886

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (CID 75614054) is tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is JPRQWEZCZZIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)22-10-4-5-15(22)16(23)20-13-6-8-14(9-7-13)21-11-12-26-17(21)24/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 75614054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).